SCHEMBL6628728

SCHEMBL6628728

CC#CCOc1ccc(S(=O)(=O)N(Cc2cccnc2)C(C)C(=O)NO)cc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 16/20 0.69
MMP13 P45452 13/20 0.69
ADAM17 P78536 13/20 0.69
MMP1 P03956 13/20 0.69
MMP2 P08253 5/20 0.63
MMP8 P22894 2/20 0.63
ADAM10 O14672 1/20 0.54
MMP14 P50281 1/20 0.54
BMP1 P13497 2/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL3946389 0.99 MMP9 (0.68) MMP9MMP13ADAM17MMP1MMP2
SCHEMBL3947833 0.91 MMP9 (0.77) MMP9MMP13ADAM17MMP1MMP2
SCHEMBL6501401 0.90 MMP9 (0.65) MMP9MMP13ADAM17MMP1MMP2
SCHEMBL6498854 0.88 MMP9 (0.62) MMP9MMP13ADAM17MMP1MMP2
SCHEMBL13643228 0.86 MMP9 (0.75) MMP9MMP13MMP1MMP2MMP8
SCHEMBL13643229 0.86 MMP9 (0.75) MMP9MMP13MMP1MMP2MMP8
SCHEMBL3946148 0.85 MMP9 (0.77) MMP9MMP13ADAM17MMP1MMP2
SCHEMBL3940026 0.85 MMP9 (0.62) MMP9MMP13ADAM17MMP1MMP2
SCHEMBL26775210 0.83 MMP9 (0.66) MMP9MMP13MMP2MMP8BMP1
SCHEMBL6625851 0.82 MMP13 (1.00) MMP9MMP13ADAM17MMP1MMP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144368-B1 ACETYLENIC ALPHA-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS WYETH CORP (US) 2004-07-14 EP claimed